COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.671   3.040  -0.486  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.129   1.870   0.052  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.755   1.679   0.053  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.845   2.733  -0.525  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.219   0.510   0.591  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.755   0.299   0.596  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.252  -0.936   0.402  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.833  -1.308   0.500  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.024  -0.511  -0.492  1.00  0.00           C  
HETATM   10  N   UNL     1       0.310  -0.399  -0.338  1.00  0.00           N  
HETATM   11  C   UNL     1       1.096   0.376  -1.302  1.00  0.00           C  
HETATM   12  C   UNL     1       2.549   0.344  -0.906  1.00  0.00           C  
HETATM   13  C   UNL     1       3.373  -0.658  -1.389  1.00  0.00           C  
HETATM   14  C   UNL     1       4.705  -0.693  -1.030  1.00  0.00           C  
HETATM   15  C   UNL     1       5.221   0.285  -0.178  1.00  0.00           C  
HETATM   16  C   UNL     1       6.647   0.253   0.211  1.00  0.00           C  
HETATM   17  C   UNL     1       7.509   1.291   0.158  1.00  0.00           C  
HETATM   18  C   UNL     1       7.110   2.663  -0.322  1.00  0.00           C  
HETATM   19  N   UNL     1       8.727   1.003   0.561  1.00  0.00           N  
HETATM   20  C   UNL     1       8.950  -0.208   0.950  1.00  0.00           C  
HETATM   21  S   UNL     1       7.523  -1.143   0.833  1.00  0.00           S  
HETATM   22  C   UNL     1       4.385   1.293   0.305  1.00  0.00           C  
HETATM   23  C   UNL     1       3.056   1.319  -0.066  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.574   0.030  -1.428  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.730  -2.812   0.172  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.021  -3.079  -0.645  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.428  -4.444  -0.529  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.033  -2.139   0.061  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.007   1.239   0.777  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.068  -0.461   1.124  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.434  -0.262   1.118  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.965   0.900   0.590  1.00  0.00           C  
HETATM   33  H   UNL     1      -7.087   3.719  -0.859  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.632   3.172  -0.491  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.034   1.052   0.593  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.629   3.483   0.236  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.914   2.269  -0.852  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.333   3.208  -1.375  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.657  -1.368   1.542  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.469  -1.120   1.510  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.423  -2.606   0.965  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.848  -1.882  -0.616  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.844  -3.016  -0.430  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.721  -3.406   1.086  1.00  0.00           H  
HETATM   45  H   UNL     1       0.750  -0.831   0.410  1.00  0.00           H  
HETATM   46  H   UNL     1       0.980  -0.056  -2.296  1.00  0.00           H  
HETATM   47  H   UNL     1       0.744   1.408  -1.311  1.00  0.00           H  
HETATM   48  H   UNL     1       2.972  -1.414  -2.048  1.00  0.00           H  
HETATM   49  H   UNL     1       2.409   2.101   0.304  1.00  0.00           H  
HETATM   50  H   UNL     1       5.346  -1.476  -1.406  1.00  0.00           H  
HETATM   51  H   UNL     1       4.778   2.052   0.965  1.00  0.00           H  
HETATM   52  H   UNL     1       6.841   3.283   0.533  1.00  0.00           H  
HETATM   53  H   UNL     1       7.945   3.119  -0.853  1.00  0.00           H  
HETATM   54  H   UNL     1       6.255   2.579  -0.993  1.00  0.00           H  
HETATM   55  H   UNL     1       9.901  -0.577   1.303  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.887  -2.801  -1.690  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.231  -4.659  -1.022  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.089  -1.015   1.531  1.00  0.00           H  
CONECT    1    2   33   34                                            
CONECT    2    1    3   32   32                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   36   37   38                                       
CONECT    5    3    3    6   30                                       
CONECT    6    5    7   29   29                                       
CONECT    7    6    8   28                                            
CONECT    8    7    9   25   40                                       
CONECT    9    8   10   24   24                                       
CONECT   10    9   11   45                                            
CONECT   11   10   12   46   47                                       
CONECT   12   11   13   23   23                                       
CONECT   13   12   14   14   48                                       
CONECT   14   13   13   15   50                                       
CONECT   15   14   16   22   22                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   52   53   54                                       
CONECT   19   17   20   20                                            
CONECT   20   19   19   21   55                                       
CONECT   21   16   20                                                 
CONECT   22   15   15   23   51                                       
CONECT   23   12   12   22   49                                       
CONECT   24    9    9                                                 
CONECT   25    8   26   43   44                                       
CONECT   26   25   27   28   56                                       
CONECT   27   26   57                                                 
CONECT   28    7   26   41   42                                       
CONECT   29    6    6                                                 
CONECT   30    5   31   31   39                                       
CONECT   31   30   30   32   58                                       
CONECT   32    2    2   31   35                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35   32                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39   30                                                      
CONECT   40    8                                                      
CONECT   41   28                                                      
CONECT   42   28                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   23                                                      
CONECT   50   14                                                      
CONECT   51   22                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   31                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
